(2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone

C53H62N8O2Si — CID 71538965

About (2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone

(2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone (PubChem CID 71538965) has the molecular formula C53H62N8O2Si and a molecular weight of 871.22 g/mol. Its IUPAC name is (2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

• Compound Name: (2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone
• PubChem CID: 71538965
• Molecular Formula: C53H62N8O2Si
• Molecular Weight: 871.22 g/mol
• Exact Mass: 870.48
• IUPAC Name: (2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone
• SMILES: CCN(CC)[C@H](C(=O)N1CCC[C@H]1c1cnc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](c6ccccc6)N(CC)CC)nc54)c3)cc2)[nH]1)c1ccccc1
• InChI: InChI=1S/C53H62N8O2Si/c1-7-58(8-2)48(37-18-13-11-14-19-37)52(62)60-31-17-22-45(60)44-33-54-50(56-44)39-25-23-36(24-26-39)40-27-29-42-41(32-40)28-30-43-47(42)57-51(55-43)46-34-64(5,6)35-61(46)53(63)49(59(9-3)10-4)38-20-15-12-16-21-38/h11-16,18-21,23-30,32-33,45-46,48-49H,7-10,17,22,31,34-35H2,1-6H3,(H,54,56)(H,55,57)/t45-,46-,48-,49+/m0/s1
• InChIKey: FVNIDPIHFPOOLY-MXWIPZPQSA-N
• XLogP: 10.73
• TPSA: 104.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.22
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone?

The IUPAC name of (2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone (CID 71538965) is (2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone.

What is the SMILES notation for (2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone?

The canonical SMILES for (2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone is CCN(CC)[C@H](C(=O)N1CCC[C@H]1c1cnc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](c6ccccc6)N(CC)CC)nc54)c3)cc2)[nH]1)c1ccccc1.

What is the InChIKey of (2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone?

The InChIKey is FVNIDPIHFPOOLY-MXWIPZPQSA-N. The full InChI is InChI=1S/C53H62N8O2Si/c1-7-58(8-2)48(37-18-13-11-14-19-37)52(62)60-31-17-22-45(60)44-33-54-50(56-44)39-25-23-36(24-26-39)40-27-29-42-41(32-40)28-30-43-47(42)57-51(55-43)46-34-64(5,6)35-61(46)53(63)49(59(9-3)10-4)38-20-15-12-16-21-38/h11-16,18-21,23-30,32-33,45-46,48-49H,7-10,17,22,31,34-35H2,1-6H3,(H,54,56)(H,55,57)/t45-,46-,48-,49+/m0/s1.

What are the key properties of (2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone?

(2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 871.22 g/mol, XLogP of 10.73, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(diethylamino)-1-[(2S)-2-[2-[4-[2-[(5R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-3,3-dimethyl-1,3-azasilolidin-5-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 71538965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).